June 30th, 2022 – What’s new in MAPS 4.5

What’s new in MAPS 4.5


  • Bulk and specialty chemicals
  • Oil, gas and petrochemical industry
  • Home & Personal care
  • Automotive and transportation
  • Aerospace and defense
  • Fragrance & flavors industry
  • Pharmaceutical & agrochemicals


  • Calculate key properies of polymers and composites
  • Assist the design of environmentally friendly catalysts
  • Design efficient surfactants


  • Automatically generate workflows for complex virtual experiments
  • Predict properties of materials efficiently and in an automatted way
  • Use virtual experiments for designing well performing products


  • Save time by efficiently creating virtual experiments
  • Design efficient and environmentally friendly products
  • Create alternative catalysts with excellent performance
  • Construct digital twins of complex materials and predict key properties

The new release of MAPS 4.5 natively enables researchers to run virtual experimentations on a product’s digital twin and establish design rules utilizing the relationship between its performance and its chemical composition. MAPS 4.5 can be used to study and improve all types of materials and products, including catalysts, nanocomposites, polymeric systems, pharmaceuticals, alloys, and many more from the atomistic and mesoscopic scales up to the macroscopic within a common environment. Combining individual tasks into virtual experiments and workflows can enable the researcher to work efficiently and concentrate on the scientific and product-related issues at hand, which result in massive time savings. In MAPS 4.5 such virtual experiments can be automatically created and executed efficiently. Moreover, several Machine Learning models have been integrated into MAPS to enable fast and reliable property prediction. All compute engines have been updated to their newest stable versions, and a new scheme has been implemented for the communication between the compute engines and MAPS.

SCIENOMICS uses the opportunity of this new release of MAPS to present scenarios, where Materials Simulations bring real benefits to product design, showcase typical applications from a variety of industrial sectors, and highlight the new features of MAPS 4.5.

Anyone interested in sustainable product development and virtual experimentation will benefit from this free webinar and Q&A session. We will be pleased to have you with us!

The examples presented will demonstrate how to translate a real-life problem into a simulation workflow applied on the digital twin of the product of interest. In particular:

  • Calculate key properties of polymers and composites
  • Assist the design of environmentally friendly catalysts
  • Design efficient surfactants



Graphene-based polymer composite

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